N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(2,6-dibromo-4-chloroanilino)acetamide
Formula:C15H11N3OBr2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(2,6-dibromo-4-chloroanilino)acetamide is not a drug-like molecule.
| MolName | N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(2,6-dibromo-4-chloroanilino)acetamide |
| MolecularFormula | C15H11N3OBr2Cl2 |
| Smiles | O=C(CNc(c(Br)cc(Cl)c1)c1Br)N/N=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C15H11Br2Cl2N3O/c16-12-5-11(19)6-13(17)15(12)20-8-14(23)22-21-7-9-1-3-10(18)4-2-9/h1-7,20H,8H2,(H,22,23) |
| InChIK | YRGCYZFXSGILJP-UHFFFAOYSA-N |
| TotalMolweight | 479.986 |
| Molweight | 479.986 |
| MonoisotopicMass | 476.864588 |
| CLogP | 5.1559 |
| CLogS | -6.683 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 280.31 |
| Relative PSA | 0.16935 |
| PolarSurfaceArea | 53.49 |
| Druglikeness | 3.2557 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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